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153745-22-3 | (3S-CIS)-7A-METHYL-3-PHENYLTETRAHYDROPYRROLO[2,1-B]OXAZOL-5(6H)-ONE
CAS No: 153745-22-3 Catalog No: AG00AD45 MDL No:
Product Description
Catalog Number:
AG00AD45
Chemical Name:
(3S-CIS)-7A-METHYL-3-PHENYLTETRAHYDROPYRROLO[2,1-B]OXAZOL-5(6H)-ONE
CAS Number:
153745-22-3
IUPAC Name:
(3S,7aR)-7a-methyl-3-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
InChI:
InChI=1S/C13H15NO2/c1-13-8-7-12(15)14(13)11(9-16-13)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3/t11-,13-/m1/s1
InChI Key:
JVEHIYMWPAQEIR-DGCLKSJQSA-N
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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